Basic information
- CAS
13215-72-0- Standard SMILES
O=C(O)c1ccc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cc1- InChIKey
KFHMRRYUOBRPAA-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- (1~1~,2~1~:2~3~,3~1~-Terphenyl)-1~4~,3~4~-dicarboxylic acid
- IUPAC
- 4-[3-(4-carboxyphenyl)phenyl]benzoic acid
- English name
- 1,3-Di(4-carboxyphenyl)benzene
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
13215-72-0DTXSID60495271(1~1~,2~1~:2~3~,3~1~-Terphenyl)-1~4~,3~4~-dicarboxylic acid[1~1~,2~1~:2~3~,3~1~-Terphenyl]-1~4~,3~4~-dicarboxylic acidRefChem:1049551DTXCID60446081[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid4-[3-(4-Carboxyphenyl)phenyl]benzoic acid[1,1':3',1''-Terphenyl]-4,4''-dicarboxylicacid1,3-DI(4-CARBOXYPHENYL)BENZENE[1,1':3',1''-Terphenyl]-4,4''-dicarboxylicacid (9CI)CHEMBL66223
Show more names
[1,1′:3′,1″-terphenyl]-4,4″-dicarboxylic acid1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid[1,1':3',1''-tribiphenyl]-4,4''-dicarboxylic acid[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid - [T92277]
SCHEMBL297758orb3213851SCHEMBL16166011DK7290MFCD305432974,4'-(1,3-Phenylene)dibenzoic acidAS-80220CS-0110223
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Melting point
- 368 · 368-370 °C
- Boiling point
- 566.7 · 566.7±43.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.86 · 3.86±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C20H14O4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H,21,22)(H,23,24)
- InChIKey
- KFHMRRYUOBRPAA-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC(C3=CC=C(C(O)=O)C=C3)=C2)=CC=C(C(O)=O)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1,3-Di(4-carboxyphenyl)benzene can be used as a ligand in the synthesis of MOF materials (JLU-MOF50).
Upstream & downstream products
Upstream raw materials
Suppliers61 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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